3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine

C14H20N4S — CID 81046969

IUPAC3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
SMILESCC(Cc1nc(-c2cccs2)n[nH]1)C1CCCNC1
InChIInChI=1S/C14H20N4S/c1-10(11-4-2-6-15-9-11)8-13-16-14(18-17-13)12-5-3-7-19-12/h3,5,7,10-11,15H,2,4,6,8-9H2,1H3,(H,16,17,18)
InChIKeyHJXKURJKTUXQOO-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.71
Rot. Bonds4

About 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine

3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine (PubChem CID 81046969) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
PubChem CID81046969
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
SMILESCC(Cc1nc(-c2cccs2)n[nH]1)C1CCCNC1
InChIInChI=1S/C14H20N4S/c1-10(11-4-2-6-15-9-11)8-13-16-14(18-17-13)12-5-3-7-19-12/h3,5,7,10-11,15H,2,4,6,8-9H2,1H3,(H,16,17,18)
InChIKeyHJXKURJKTUXQOO-UHFFFAOYSA-N
XLogP2.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 62734713
3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
CID 81046967
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
3-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-1H-1,2,4-triazole
CID 55222065
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 65155343
3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 81044233
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
CID 61337137
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62733596

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine?
The IUPAC name of 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine (CID 81046969) is 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine?
The canonical SMILES for 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine is CC(Cc1nc(-c2cccs2)n[nH]1)C1CCCNC1.
What is the InChIKey of 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine?
The InChIKey is HJXKURJKTUXQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10(11-4-2-6-15-9-11)8-13-16-14(18-17-13)12-5-3-7-19-12/h3,5,7,10-11,15H,2,4,6,8-9H2,1H3,(H,16,17,18).
What are the key properties of 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine?
3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine has a molecular weight of 276.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine is sourced from PubChem (CID 81046969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).